Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3453545 | 0.88 | ESR1 (0.54) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL9686785 | 0.85 | ESR1 (0.45) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL18636203 | 0.82 | ESR1 (0.47) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL9246326 | 0.81 | HPGD (0.47) | ALDH1A1KDM4EPARP1ACHELMNA | |
| SCHEMBL9688068 | 0.79 | CES2 (0.47) | KDM4EPARP1TSHRACHELMNA | |
| SCHEMBL9688906 | 0.77 | CES2 (0.53) | ALDH1A1KDM4EPARP1MEN1NR1I2 | |
| SCHEMBL2634183 | 0.75 | MAPK1 (0.43) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL16244925 | 0.75 | MAPK1 (0.43) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL2634181 | 0.75 | MAPK1 (0.43) | ESR1ESR2CA12CA2CA9 | |
| SCHEMBL3621552 | 0.73 | CA12 (0.52) | CA12CA2CA9CA1CA6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |